Information card for entry 2218230

Structure parameters

• Chemical name: Ammonium 1-hydroxy-2-naphthoate
• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• SMILES: Oc1c(ccc2ccccc12)C(=O)[O-].[NH4+]
• Title of publication: Ammonium 1-hydroxy-2-naphthoate
• Authors of publication: Bi, Ye; Han, Cheng-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o813
• a: 30.883 ± 0.005 Å
• b: 3.88 ± 0.001 Å
• c: 15.777 ± 0.003 Å
• α: 90°
• β: 95.567 ± 0.002°
• γ: 90°
• Cell volume: 1881.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes